4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(propan-2-yl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 859115
• Molecular Formular: C18H24N4OS
• Molecular Mass: 344.47436
• Monoisotopic Mass: 344.16708241
• SMILES: c1(sc(nc1C)C(C)C)C(=O)NCc1nc2c(c(n1)C)CCCC2
• Canonical SMILES: CC(c1sc(c(n1)C)C(=O)NCc1nc(C)c2c(n1)CCCC2)C
• InChI: InChI=1S/C18H24N4OS/c1-10(2)18-21-12(4)16(24-18)17(23)19-9-15-20-11(3)13-7-5-6-8-14(13)22-15/h10H,5-9H2,1-4H3,(H,19,23)
• InChIKey: RAKQYJWYHXXNBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(propan-2-yl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: 2-isopropyl-4-methyl-N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-1,3-thiazole-5-carboxamide
• Synonyms: 2-isopropyl-4-methyl-N-[(4-methyl-5,6,7,8-tetrahydro-2-quinazolinyl)methyl]-1,3-thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.624043
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1041837
• LogD (pH = 7.4): 3.1043754
• Log P: 3.104378
• Molar Refractivity: 95.6967 cm^3
• Polarizability: 36.067806 Å^3
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.1
• LOG S: -4.36
• Polar Surface Area: 67.77 Å^2
• Rotatable Bonds: 4